2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl [2,2,2-trichloro-1-(4-methylanilino)ethyl]carbamate
Chemical Structure Depiction of
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl [2,2,2-trichloro-1-(4-methylanilino)ethyl]carbamate
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl [2,2,2-trichloro-1-(4-methylanilino)ethyl]carbamate
Compound characteristics
| Compound ID: | 1492-0119 |
| Compound Name: | 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl [2,2,2-trichloro-1-(4-methylanilino)ethyl]carbamate |
| Molecular Weight: | 450.71 |
| Molecular Formula: | C16 H18 Cl3 N5 O4 |
| Smiles: | Cc1ccc(cc1)NC(C([Cl])([Cl])[Cl])NC(=O)OCCn1c(cnc1C)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9121 |
| logD: | 3.7804 |
| logSw: | -4.1247 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.525 |
| InChI Key: | XDJPMJSYXXVDJZ-CQSZACIVSA-N |